Try beta.chemspider
- 7 of 7 defined stereocentres
- Non-standard isotope
(5'alpha)-5'-[(2S)-2-Butanyl]-12'-hydroxy-2'-isopropyl-3',6',18-trioxo(17,17,17-~2~H_3_)ergotaman
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](C(C)C)(N=C([C@@H]4C=C5C6=C7C(=CNC7=CC=C6)C[C@H]5N(C([2H])([2H])[2H])C4)O)O3)O [2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)[C@@H](C)CC)C(C)C
InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27-,31+,32-/m0/s1/i5D3
YYWXOXLDOMRDHW-BHJBMCMBSA-N
CSID:58783660, http://www.chemspider.com/Chemical-Structure.58783660.html (accessed 04:23, Jul 27, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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